C Gopi Mohan
Amrita Centre for Nanosciences and Molecular Medicine (ACNMM), Amrita Institute of Medical Sciences, Ponekkara, Kochi- 682 041, Kerala State, India.
The process of going from a known structure of a pharmaceutical target to an active compound may seem both conceptually simple and practically daunting. Structural genomics initiative followed by structure-based drug design forms a solid understanding of molecular recognition between active site groups and interacting molecules and is a strategy that has become an integral part of modern drug discovery. Due to the recent volume and pace at which the three dimensional structures of drug gable targets and their co-crystals have been made available, coupled with advances in computation tools, structure-based drug design has become a tool for lead generation as well as for optimization.
This talk will address few case studies and expand on our current thoughts by providing ideas on the overall process. The computational approaches we utilized in the past as well as currently exploring, with the progress achieved, and future directions would be discussed. Read More …